H / OPERATOR-ADAPTED RKHS
Accepted · NeurIPS 2026 GlobalSouthAI
Representation learning / Operator theory / RKHS

Operator-Adapted Reproducing Kernel Geometries for Structure-Preserving Representation Learning

What if the operator is fixed, but the geometry is ours to design? An exact existence and classification theory for Hilbert-space geometries in which a prescribed linear operator becomes norm preserving.

Himanshu Singh · Department of Meteorology and Atmospheric Science · The Pennsylvania State University

Conventional direction

Choose a geometry first, then ask whether an operator respects it.

\(G\ \longrightarrow\ M\)
Our inverse direction

Fix the operator first, then construct a compatible RKHS geometry.

\(M\ \longrightarrow\ \color{#00e5c3}{G}\)
01 / The motivation

Preserve the operator by redesigning the geometry.

Most representation-learning methods modify features or fit a new transformation. This work reverses the question: given an operator, can we design the inner product—and therefore an RKHS—in which that operator acts as an exact isometry?

The obstacle

Euclidean distortion

A matrix may have all eigenvalues on the unit circle and still stretch some vectors in the usual Euclidean norm. Eigenvalue magnitudes do not by themselves determine whether lengths and angles are preserved.

The design variable

A positive-definite metric

Instead of altering the dynamics, choose a Hermitian matrix \(G\succ0\) that defines the inner product. Exact invariance is expressed by \(M^*GM=G\).

The payoff

A family of compatible kernels

Each admissible metric induces a reproducing kernel on the chosen feature space. The question is not merely whether a solution exists, but how to characterize all compatible geometries.

The conceptual starting point

Why can the same operator look distorted in one geometry and perfectly conservative in another?

A vector norm is not intrinsic to its coordinate entries: it depends on the inner product. In standard coordinates we use \(\|c\|_2^2=c^*c\); in a feature-space geometry we can instead use \(\|c\|_G^2=c^*Gc\). Thus, the statement that a transformation “preserves length” must always specify which length.

\[\|Mc\|_G^2=(Mc)^*G(Mc)=c^*(M^*GM)c.\]

Requiring this to equal \(\|c\|_G^2\) for every coefficient vector \(c\) yields the fundamental equation \(M^*GM=G\). This is the bridge from an intuitive geometric question to a precise matrix problem.

A concrete example

A rotation hidden by a change of coordinates

Start with an ordinary rotation \(R_\theta\), which preserves Euclidean length. Let \(S\) be invertible, and describe the same motion in distorted coordinates by \(M=SR_\theta S^{-1}\). In general \(M^*M\ne I\): Euclidean circles can appear stretched even though the underlying dynamics are rotational.

\[M=SR_\theta S^{-1},\qquad G=S^{-*}S^{-1}.\]

With this adapted metric, \(M^*GM=G\) exactly. The geometry compensates for the coordinate distortion without changing the operator. Section 05 lets you vary the rotation and shear and observe this construction.

Why the RKHS matters

From matrices to functions and kernels

In a finite-dimensional feature space, a function is represented by coefficients in a basis of features. A positive-definite Gram matrix determines their inner products, while its inverse appears in the corresponding reproducing kernel. Designing \(G\) therefore changes not only a matrix norm but the Hilbert-space geometry of the represented functions.

\[k_G(x,y)=\Psi(x)^*G^{-1}\Psi(y).\]

This makes the inverse problem relevant to representation learning: we seek feature-space geometries in which a prescribed linear action has a guaranteed structural property, rather than relying on an unconstrained learned representation.

Why the existence theorem is necessary

Not every operator admits an adapted positive-definite metric

Changing the inner product cannot erase genuine exponential growth, decay, or a nontrivial Jordan block. In finite dimensions, an invertible matrix admits a positive-definite solution of \(M^*GM=G\) if and only if it is diagonalizable over \(\mathbb C\) and all of its eigenvalues lie on the unit circle. This criterion separates geometries that can be designed from operators for which exact isometry is impossible.

\[\exists\,G\succ0:\ M^*GM=G\quad\Longleftrightarrow\quad M\text{ is diagonalizable and }|\lambda_j(M)|=1\ \forall j.\]

The equivalence is for the finite-dimensional setting studied here; it is not a blanket statement about arbitrary infinite-dimensional operators.

What this enables

Structure-preserving representations

When the criterion holds, an adapted RKHS can encode exact norm preservation under the specified operator. This gives a principled geometric ingredient for stable operator representations, invariant feature dynamics, and controlled comparisons of learned coordinates.

These are motivations and possible uses of the construction, not claims that the paper establishes improved performance for every downstream learning task.

What makes the inverse view different

Classify the geometry, not just the transformation

Rather than checking whether a fixed kernel happens to make \(M\) isometric, we ask which kernels do. The admissible set of metrics can contain many choices; their classification reveals freedom to tailor a representation while preserving the same exact operator identity.

Central distinction. The operator, its eigenvalues, and its underlying action are fixed. The metric and associated reproducing kernel are designed. This is an exact finite-dimensional result, not a claim that arbitrary unstable operators can be made unitary.
01 · Given

A prescribed linear operator \(M\).

02 · Ask

Can \(M\) preserve a positive-definite inner product?

03 · Solve

Find and classify \(G\succ0\) satisfying \(M^*GM=G\).

04 · Build

Construct the corresponding RKHS kernels \(k_G\).

02 / Mathematical foundations

From a prescribed operator to an exact RKHS isometry.

The central mathematical step is to translate a question about preserving the norm of functions into a matrix equation for the inner product. This section follows Proposition 2.1, Theorem 2.2, and Remark 2.3 of the accepted manuscript, with short derivations explaining why each condition matters.

Step 01 · The representation space

Fix the functions and the operator; leave the geometry free.

Choose linearly independent complex-valued functions \(\psi_1,\ldots,\psi_m\) on a nonempty set \(X\). Their span is a finite-dimensional function space. The prescribed linear operator \(T\) acts on coefficient vectors through a matrix \(M\).

\[V=\operatorname{span}\{\psi_1,\ldots,\psi_m\},\qquad f_c(x)=\Psi(x)^*c,\qquad Tf_c=f_{Mc}.\]

The coefficients \(c\) describe a function, but they do not determine how its length is measured. That additional choice is encoded by a Hermitian positive-definite matrix \(G\).

Step 02 · Choosing an inner product

A metric on coefficient space

\[G=G^*\succ0,\qquad \langle f_c,f_d\rangle_G=d^*Gc,\qquad\|f_c\|_G^2=c^*Gc.\]

Positive definiteness ensures that every nonzero function has positive squared norm. Changing \(G\) changes the geometry without changing the basis functions or the action of \(T\).

Step 03 · Reproducing the function values

Why this geometry defines an RKHS

\[k_G(x,y)=\Psi(x)^*G^{-1}\Psi(y).\]

Proposition 2.1. Every \(G\succ0\) yields a reproducing-kernel Hilbert space on the same finite-dimensional function space. The inverse matrix appears because kernel sections must represent point evaluation under the chosen inner product.

Derivation · The reproducing property

Where does the inverse Gram metric come from?

For a fixed \(y\in X\), the kernel section \(k_G(\cdot,y)\) has coefficient vector \(G^{-1}\Psi(y)\). Using the inner-product convention in the manuscript,

\[\langle f_c,k_G(\cdot,y)\rangle_G=(G^{-1}\Psi(y))^*Gc=\Psi(y)^*c=f_c(y).\]

This is the reproducing property. It makes the connection between a positive-definite matrix and a genuine function-space kernel exact—not merely an analogy with metric learning.

Step 04 · The invariant-metric equation

Norm preservation becomes a matrix identity.

Since \(Tf_c=f_{Mc}\), asking the operator to preserve the RKHS norm for every function is equivalent to asking that a quadratic form remain unchanged for every coefficient vector:

\[\|Tf_c\|_G^2=(Mc)^*G(Mc)=c^*M^*GMc.\]
\[\|Tf_c\|_G=\|f_c\|_G\ \text{for every }c\quad\Longleftrightarrow\quad\boxed{M^*GM=G}.\]

Theorem 2.2. This equation is necessary and sufficient for \(T\) to act isometrically on the constructed RKHS. It is a linear matrix constraint in the unknown entries of \(G\), together with the essential requirement \(G\succ0\).

Why existence is nontrivial

Not every operator can be made an isometry.

Theorem 2.2 further shows that a positive-definite solution exists if and only if \(M\) is similar to a unitary matrix. In finite dimensions, this is equivalent to two simultaneous requirements:

\[M\ \text{diagonalizable},\qquad\sigma(M)\subset\mathbb T,\quad \mathbb T=\{z\in\mathbb C:|z|=1\}.\]

Unit-modulus eigenvalues are necessary, but they are not sufficient on their own.

Remark 2.3 · The Jordan obstruction

Why eigenvalues alone can mislead

\[J=\begin{bmatrix}1&1\\0&1\end{bmatrix},\qquad J^n=\begin{bmatrix}1&n\\0&1\end{bmatrix}.\]

Every eigenvalue of \(J\) equals one, yet its powers grow. If \(J^*GJ=G\) held for a positive-definite \(G\), all powers would preserve the \(G\)-norm—contradicting this growth. A nontrivial Jordan block therefore obstructs exact adaptation.

Constructive proof idea

Similarity to a unitary matrix gives an explicit solution.

Suppose \(M=SDS^{-1}\), where \(S\) is invertible and \(D\) is diagonal with unit-modulus entries. Then \(D^*D=I\). Choose

\[G=S^{-*}S^{-1},\qquad S^{-*}=(S^{-1})^*.\]

This \(G\) is positive definite, and direct substitution gives

\[M^*GM=S^{-*}D^*DS^{-1}=S^{-*}S^{-1}=G.\]

Conversely, if \(M^*GM=G\), then \(U=G^{1/2}MG^{-1/2}\) satisfies \(U^*U=I\). Hence \(M\) is similar to a unitary matrix. These two directions explain the exact existence criterion.

What is preserved?

All inner products, not only norms

\[\langle Tf_c,Tf_d\rangle_G=d^*M^*GMc=d^*Gc.\]

Once the metric equation holds, the operator preserves pairwise inner products and the corresponding distances and angles in the adapted Hilbert geometry.

What is not being claimed?

The theorem has a precise scope

The construction applies to a fixed finite-dimensional invariant function space and a prescribed linear action on it. It does not imply that arbitrary dissipative, unstable, defective, or infinite-dimensional operators admit an exact positive-definite invariant RKHS metric.

Bridge to Section 03. The existence theorem answers whether an adapted RKHS can exist. It does not say there is only one. The next section classifies every admissible positive-definite metric and reproducing kernel, showing how repeated eigenvalues create additional geometric freedom.
03 / Classification of all solutions

Not one adapted geometry. An entire family.

Existence is only the first question. Once a prescribed operator admits an invariant inner product, which positive-definite metrics preserve it, how many free parameters remain, and what kernels do they produce? Theorem 2.4 and Corollaries 2.5–2.6 answer these questions in the finite-dimensional setting.

The classification problem

Describe the full solution set, not just one metric

\[\mathcal G(M)=\{G=G^*\succ0:\ M^*GM=G\}.\]

Section 02 constructed one solution when the operator is diagonalizable with unimodular eigenvalues. But that construction is not unique: changing the inner product within invariant eigenspaces can preserve exactly the same operator. The classification determines all such choices.

Step 01 · Pass to eigen-coordinates

Separate the operator from its metric

Write \(M=SDS^{-1}\), where \(D=\operatorname{diag}(\mu_1 I_{m_1},\ldots,\mu_r I_{m_r})\), the \(\mu_j\) are distinct, and \(|\mu_j|=1\). Define \(H=S^*GS\). Then the invariance equation becomes

\[M^*GM=G\quad\Longleftrightarrow\quad D^*HD=H.\]

Because \(S\) is invertible, \(G\succ0\) if and only if \(H\succ0\). Thus no admissible metric is lost by working in eigen-coordinates.

Step 02 · Solve the block equation

Distinct eigenspaces cannot mix

Partition \(H\) into blocks \(H_{ij}\) matching the eigenspaces. The invariance identity reads

\[\overline{\mu_i}\mu_j H_{ij}=H_{ij}.\]

If \(i\neq j\), the eigenvalues are distinct and unimodular, so \(\overline{\mu_i}\mu_j\neq1\). Hence \(H_{ij}=0\). Within a repeated-eigenvalue block, however, the equation imposes no additional restriction beyond Hermitian positive definiteness.

Complete parameterization · Theorem 2.4

Every invariant metric has this form

\[\boxed{\ G=S^{-*}\operatorname{diag}(H_1,\ldots,H_r)S^{-1},\qquad H_j=H_j^*\succ0.\ }\]

Here \(S^{-*}=(S^{-1})^*\). Each positive-definite block \(H_j\) may be chosen freely, and every solution of \(M^*GM=G\) arises in this way. The metric from Section 02 is recovered by setting every \(H_j=I_{m_j}\).

\[k_H(x,y)=\Psi(x)^*S\operatorname{diag}(H_1^{-1},\ldots,H_r^{-1})S^*\Psi(y).\]

Consequently, classification of invariant inner products gives a corresponding family of reproducing kernels for the same finite-dimensional function space. The feature functions \(\Psi\) are held fixed; what changes is their Hilbert-space geometry.

Corollary · Simple spectrum

One positive weight per eigenvector

If all \(n\) eigenvalues are distinct, each block is \(1\times1\):

\[G=S^{-*}\operatorname{diag}(h_1,\ldots,h_n)S^{-1},\qquad h_j>0.\]

The family has \(n\) real parameters. Geometrically, the eigen-directions can be weighted independently, but distinct eigenspaces cannot acquire cross terms in eigen-coordinates.

Corollary · Repeated spectrum

Entire inner products within eigenspaces

An eigenspace of complex dimension \(m_j\) allows any \(m_j\times m_j\) Hermitian positive-definite matrix. This includes off-diagonal correlations between eigenvectors sharing the same eigenvalue.

\[\boxed{\dim_{\mathbb R}\mathcal G(M)=\sum_{j=1}^{r}m_j^2.}\]

This counts real parameters in the cone of Hermitian invariant metrics on a complex function space. It is not the count for a separately constrained real-symmetric metric family.

Worked example · Three-dimensional representation

Repeated eigenvalues create extra geometric freedom

Consider the diagonal unitary operator below, with two equal eigenvalues and a third distinct eigenvalue:

\[D=\operatorname{diag}(e^{i\theta},e^{i\theta},e^{i\phi}),\qquad e^{i\theta}\neq e^{i\phi}.\]

Its invariant metrics in eigen-coordinates are exactly

\[H=\begin{bmatrix}a&z&0\\\overline z&b&0\\0&0&c\end{bmatrix},\quad a,b,c>0,\quad ab>|z|^2.\]

The free variables are \(a,b,c\in\mathbb R\) and \(z\in\mathbb C\): five real parameters, agreeing with \(2^2+1^2=5\). If the three eigenvalues were distinct, the off-diagonal \(z\) would be forced to zero and the dimension would drop to three.

What the dimension means

More multiplicity, more admissible geometry

For \(M=\mu I_n\) with \(|\mu|=1\), every Hermitian positive-definite \(G\) is invariant, yielding \(n^2\) real parameters. At the opposite extreme, a simple spectrum allows only \(n\) independent positive weights in the eigenbasis.

The dimension counts a family of metrics, not the number of independent eigenvalues or a learned model's parameter count.

Non-uniqueness and normalization

What remains undetermined?

If \(G\in\mathcal G(M)\), then \(cG\in\mathcal G(M)\) for every \(c>0\). Thus even the overall metric scale is not determined by isometry alone. Additional design criteria or a normalization (for example, fixing \(\operatorname{tr}G\)) can select among admissible geometries.

A normalization reduces the available freedom; it is not part of the invariant-metric equation itself.

Why classification matters for representation learning

Exact structure preservation without a unique kernel

The classification gives a feasible family of RKHS geometries in which the prescribed operator is exactly norm-preserving. Within that family, one may subsequently investigate conditioning, interpretability, or compatibility with data without sacrificing the identity \(M^*GM=G\).

This is a mathematical design opportunity, not a claim that the paper proves a particular data-driven criterion will choose the best kernel or improve downstream accuracy.

04 / Evidence from the accepted paper

Same eigenvalues. Different geometry. Exact invariance.

The numerical verification isolates the central claim of the paper: an operator can be spectrally stable yet fail to preserve Euclidean geometry. Changing the inner product—not the underlying operator—restores an isometric representation.

Representation dimension
20

A synthetic linear operator similar to a unitary matrix, but non-unitary in the native Euclidean metric.

Original Gaussian discrepancy
0.561

Normalized pairwise kernel-invariance error in Euclidean geometry.

Adapted Gaussian discrepancy
1.12 × 10⁻¹⁵

Near machine precision after using the operator-adapted metric.

The controlled construction

Hold the operator fixed; change how lengths are measured.

The manuscript constructs a 20-dimensional operator \(M\) that is similar to a unitary matrix. Its eigenvalues lie on the unit circle, but its Euclidean singular values need not equal one. A positive-definite matrix \(G\) is constructed so that \(M^*GM=G\). Equivalently, the matrix below is unitary:

\[\widetilde M=G^{1/2}MG^{-1/2},\qquad \widetilde M^*\widetilde M=I.\]

Similarity preserves the eigenvalues, not the singular values. The latter depend on the chosen inner product, which is exactly what this experiment tests.

Original Figure 1 from the accepted manuscript showing eigenvalue spectra, singular values, and pairwise Gaussian-kernel invariance discrepancies before and after metric adaptation

Figure 1 from the accepted manuscript. Panel (a) compares the unchanged spectra; panel (b) contrasts singular values in Euclidean and adapted coordinates; panels (c) and (d) compare pairwise kernel-invariance discrepancies using a common color scale. The figure is reproduced from the supplied accepted paper.

Experiment A · Native geometry

The standard Gaussian is not automatically invariant

\[k_0(x,y)=\exp\!\left(-\frac{\|x-y\|_2^2}{2\gamma^2}\right).\]

When \(M\) is non-unitary in Euclidean coordinates, it can alter distances \(\|Mx-My\|_2\), and therefore change Gaussian similarities. Unit-modulus eigenvalues alone do not prevent this.

Experiment B · Adapted geometry

Replace Euclidean distance with the invariant quadratic form

\[k_G(x,y)=\exp\!\left(-\frac{(x-y)^*G(x-y)}{2\gamma^2}\right).\]

Because \(M^*GM=G\), the squared adapted distance is unchanged under \(M\), giving \(k_G(Mx,My)=k_G(x,y)\) exactly in mathematics.

How the error is actually computed

120 samples, pairwise kernel values, one normalized discrepancy

With \(N=120\) sampled vectors \(z_1,\ldots,z_N\in\mathbb R^{20}\) and bandwidth \(\gamma=3\), the paper measures every pairwise change in similarity:

\[\Delta_k(i,j)=\left|k(Mz_i,Mz_j)-k(z_i,z_j)\right|.\]
\[\varepsilon_k=\left(\frac{\sum_{i,j=1}^{N}\left|k(Mz_i,Mz_j)-k(z_i,z_j)\right|^2}{\sum_{i,j=1}^{N}\left|k(z_i,z_j)\right|^2}\right)^{1/2}.\]

Thus \(\varepsilon_k=0\) means all sampled pairwise kernel values are preserved. The reported adapted value \(1.12\times10^{-15}\) is a finite-precision numerical confirmation of the exact invariance identity.

What the figure establishes

Geometry—not eigenvalues—explains the difference

The spectral plot cannot distinguish the two geometric descriptions, but the singular-value comparison and kernel discrepancy can. This supports the paper's central inverse-design perspective: preserve the operator and choose a compatible RKHS geometry.

What the figure does not establish

A precise, synthetic verification

This is a controlled linear-algebra experiment, not a trained neural-network benchmark or an evaluation of downstream forecasting accuracy. The numerical result validates the construction for the chosen operator and sampled representations; the general existence and classification statements come from the theorems.

Interpretation. The Euclidean Gaussian asks whether \(M\) preserves ordinary distances. The adapted Gaussian asks whether \(M\) preserves the distances of the RKHS geometry constructed for it. The latter succeeds because the metric satisfies an exact algebraic identity—not because the operator was retrained or its spectrum modified.
05 / Interactive mathematical laboratory

Keep the operator fixed. Change the metric.

This self-contained 2D illustration shows exactly how an adapted positive-definite metric converts a non-orthogonal similarity transform of a rotation into an isometry. It is not a reproduction of the paper's 20D numerical experiment.

Live construction

Construct \(S=\begin{bmatrix}1&s\\0&1\end{bmatrix}\), \(M=S R_\theta S^{-1}\), and \(G=S^{-T}S^{-1}\). This guarantees \(M^TGM=G\) for every slider setting.

Eigenvalue magnitudes
1, 1
Euclidean largest singular value
—
Adapted largest singular value
1.000
Metric invariance residual
—
Unit circles under the two geometries

Dashed outlines show the image of each unit curve under \(M\). The Euclidean circle generally changes shape, while the \(G\)-unit ellipse maps onto itself.

Loading interactive construction…
Why this works
\[\|Mx\|_G^2=x^TM^TGMx=x^TGx.\]

Norm preservation is exact because the metric is constructed from the similarity transform. The Euclidean matrix need not be orthogonal.

Kernel consequence
\[\|M(x-y)\|_G^2=\|x-y\|_G^2.\]

Consequently, every Gaussian kernel using this invariant quadratic form preserves pairwise similarity under the transformation.

06 / Read, reproduce, extend

The research artifact.

The mathematical statements and reported numerical values on this site are taken from the accepted manuscript. The interactive illustration is a separate, analytically exact teaching example.

Accepted manuscript

Operator-Adapted Reproducing Kernel Geometries for Structure-Preserving Representation Learning

Himanshu Singh · NeurIPS 2026 GlobalSouthAI

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Research code

Source repository and reproducibility

Explore the code, experiment settings, and related research artifacts in the linked repository. The site's browser demo does not require a Python environment.

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Scope and limitations

The existence and classification results concern finite-dimensional function spaces. The paper identifies extension to infinite-dimensional RKHSs, including bounded positive invertible metric operators, as a separate research direction. The 2D web demonstration is not an additional empirical result.

Suggested citation

Singh, H. (2026). Operator-Adapted Reproducing Kernel Geometries for Structure-Preserving Representation Learning. NeurIPS 2026 GlobalSouthAI. Verify the final proceedings metadata and URL before using a formal BibTeX entry.